2-[3-(DIMETHYLAMINO)-1-METHOXY-2-PROPENYLIDENE]MALONONITRILE

Base Information

• Chemical Name: 2-[3-(DIMETHYLAMINO)-1-METHOXY-2-PROPENYLIDENE]MALONONITRILE
• CAS No.: 95689-38-6
• Molecular Formula: C9H11N3O
• Molecular Weight: 177.206
• Hs Code.: 2926909090
• Mol file: 95689-38-6.mol

Synonyms:Propanedinitrile,[3-(dimethylamino)-1-methoxy-2-propenylidene]- (9CI);1,1-Dicyano-2-methoxy-4-dimethylamino-1,3-butadiene;

Chemical Property of 2-[3-(DIMETHYLAMINO)-1-METHOXY-2-PROPENYLIDENE]MALONONITRILE

Chemical Property:

• Vapor Pressure: 0.000268mmHg at 25°C
• Melting Point: 130°
• Boiling Point: 323.1 °C at 760 mmHg
• PKA: 8.21±0.70(Predicted)
• Flash Point: 149.2 °C
• PSA: 60.05000
• Density: 1.078g/cm³
• LogP: 1.00936
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, Dichloromethane

Purity/Quality:

97% ^*data from raw suppliers

1,1-Dicyano-2-methoxy-4-dimethylamino-1,3-butadiene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Intermediate in the synthesis of antitumor agent Gimeracil (G378000).

Technology Process of 2-[3-(DIMETHYLAMINO)-1-METHOXY-2-PROPENYLIDENE]MALONONITRILE

There total 5 articles about 2-[3-(DIMETHYLAMINO)-1-METHOXY-2-PROPENYLIDENE]MALONONITRILE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 70.0%

methanol (67-56-1) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) + (1-ethoxyethylidene)malononitrile (5417-82-3) → 1,1-dicyano-4-(N,N-dimethylamino)-2-methoxy-1,3-butadiene (95689-38-6)

Guidance literature:

for 0.5h; Heating;

DOI:10.1002/ardp.19853180602

Reference yield: 52.0%

N,N-dimethyl-formamide dimethyl acetal (4637-24-5) + (1-ethoxyethylidene)malononitrile (5417-82-3) → 1,1-dicyano-4-(N,N-dimethylamino)-2-methoxy-1,3-butadiene (95689-38-6)

Guidance literature:

In methanol; for 1.5h; Heating;

DOI:10.1016/j.tet.2006.04.053

Reference yield:

2-(methoxyethylidene)propanedinitrile (5515-16-2) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → 1,1-dicyano-4-(N,N-dimethylamino)-2-methoxy-1,3-butadiene (95689-38-6)

Guidance literature:

In methanol; for 0.5h; Reflux;

DOI:10.1016/j.ejmech.2012.12.016

upstream raw materials:

methanol

N,N-dimethyl-formamide dimethyl acetal

(1-ethoxyethylidene)malononitrile

2-(methoxyethylidene)propanedinitrile

Downstream raw materials:

ricinin

4-methoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile

2-amino-4-methoxypyridine-3-carbonitrile

2-chloro-3-cyano-4-methoxypyridine

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